4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2304 |
| Compound Name: | 4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 483.99 |
| Molecular Formula: | C23 H27 Cl F N O5 S |
| Smiles: | CC(C)CC(N(CC1CCCO1)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5424 |
| logD: | 4.5424 |
| logSw: | -4.6403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.425 |
| InChI Key: | IVLXHCDUWNJVKF-HXUWFJFHSA-N |